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Aqion
Aqion is a hydrochemistry software tool. It bridges the gap between scientific software (such like PhreeqCParkhurst, D.L. and C.A.J. Appelo: User's Guide to PHREEQC (version 2), a computer program for speciation, batch-reaction, one-dimensional transport and inverse geochemical calculations. USGS Water-Resources Investigations Report 99-4259, 1999) and the calculation/handling of "simple" water-related tasks in daily routine practice. The software aqion is free for private users, education and companies. Motivation & history First. Most of the hydrochemical software is designed for experts and scientists. In order to flatten the steep learning curve aqion provides an introduction to fundamental water-related topics in form of a "chemical pocket calculator". Second. The program mediates between two terminological concepts: The calculations are performed in the "scientific realm" of thermodynamics (activities, speciation, log K values, ionic strength, etc.). Then, the output is tr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Windows
Windows is a group of several proprietary graphical operating system families developed and marketed by Microsoft. Each family caters to a certain sector of the computing industry. For example, Windows NT for consumers, Windows Server for servers, and Windows IoT for embedded systems. Defunct Windows families include Windows 9x, Windows Mobile, and Windows Phone. The first version of Windows was released on November 20, 1985, as a graphical operating system shell for MS-DOS in response to the growing interest in graphical user interfaces (GUIs). Windows is the most popular desktop operating system in the world, with 75% market share , according to StatCounter. However, Windows is not the most used operating system when including both mobile and desktop OSes, due to Android's massive growth. , the most recent version of Windows is Windows 11 for consumer PCs and tablets, Windows 11 Enterprise for corporations, and Windows Server 2022 for servers. Genealogy By marketing ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Geochemical Modeling
Geochemical modeling or theoretical geochemistry is the practice of using chemical thermodynamics, chemical kinetics, or both, to analyze the chemical reactions that affect Geology, geologic systems, commonly with the aid of a computer. It is used in high-temperature geochemistry to simulate reactions occurring deep in the Earth's interior, in magma, for instance, or to model low-temperature reactions in aqueous solutions near the Earth's surface, the subject of this article. Applications to aqueous systems Geochemical modeling is used in a variety of fields, including environmental Environmental protection, protection and Environmental remediation, remediation, the petroleum industry, and economic geology.Bethke, C.M., 2008, ''Geochemical and Biogeochemical Reaction Modeling''. Cambridge University Press, 547 pp. Models can be constructed, for example, to understand the composition of natural waters; the mobility and breakdown of Pollution, contaminants in flowing groundwater or s ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Dynamic-link Library
Dynamic-link library (DLL) is Microsoft's implementation of the shared library concept in the Microsoft Windows and OS/2 operating systems. These libraries usually have the file extension DLL, OCX (for libraries containing ActiveX controls), or DRV (for legacy system drivers). The file formats for DLLs are the same as for Windows EXE files – that is, Portable Executable (PE) for 32-bit and 64-bit Windows, and New Executable (NE) for 16-bit Windows. As with EXEs, DLLs can contain code, data, and resources, in any combination. Data files with the same file format as a DLL, but with different file extensions and possibly containing only resource sections, can be called ''resource DLLs''. Examples of such DLLs include ''icon libraries'', sometimes having the extension ICL, and font files, having the extensions FON and FOT. Background The first versions of Microsoft Windows ran programs together in a single address space. Every program was meant to co-operate by yielding ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Newton–Raphson Method
In numerical analysis, Newton's method, also known as the Newton–Raphson method, named after Isaac Newton and Joseph Raphson, is a root-finding algorithm which produces successively better approximations to the roots (or zeroes) of a real-valued function. The most basic version starts with a single-variable function defined for a real variable , the function's derivative , and an initial guess for a root of . If the function satisfies sufficient assumptions and the initial guess is close, then :x_ = x_0 - \frac is a better approximation of the root than . Geometrically, is the intersection of the -axis and the tangent of the graph of at : that is, the improved guess is the unique root of the linear approximation at the initial point. The process is repeated as :x_ = x_n - \frac until a sufficiently precise value is reached. This algorithm is first in the class of Householder's methods, succeeded by Halley's method. The method can also be extended to complex functions an ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Davies Equation
The Davies equation is an empirical extension of Debye–Hückel theory which can be used to calculate activity coefficients of electrolyte solutions at relatively high concentrations at 25 °C. The equation, originally published in 1938, was refined by fitting to experimental data. The final form of the equation gives the mean molal activity coefficient of an electrolyte that dissociates into ions having charges and as a function of ionic strength : :-\log f_\pm = 0.5 z_1 z_2\left(\frac - 0.30 I \right). The second term, , goes to zero as the ionic strength goes to zero, so the equation reduces to the Debye–Hückel equation at low concentration. However, as concentration increases, the second term becomes increasingly important, so the Davies equation can be used for solutions too concentrated to allow the use of the Debye–Hückel equation. For 1:1 electrolytes the difference between measured values and those calculated with this equation is about 2% of the value for ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Debye–Hückel Equation
The chemists Peter Debye and Erich Hückel noticed that solutions that contain ionic solutes do not behave ideally even at very low concentrations. So, while the concentration of the solutes is fundamental to the calculation of the dynamics of a solution, they theorized that an extra factor that they termed gamma is necessary to the calculation of the activity coefficients of the solution. Hence they developed the Debye–Hückel equation and Debye–Hückel limiting law. The activity is only proportional to the concentration and is altered by a factor known as the activity coefficient \gamma. This factor takes into account the interaction energy of ions in solution. Debye–Hückel limiting law In order to calculate the activity a_C of an ion C in a solution, one must know the concentration and the activity coefficient: a_C = \gamma \frac\mathrm\mathrm, where * \gamma is the activity coefficient of C, * \mathrm is the concentration of the chosen ''standard state'', e.g. 1 mol ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Concentration
In chemistry, concentration is the abundance of a constituent divided by the total volume of a mixture. Several types of mathematical description can be distinguished: '' mass concentration'', ''molar concentration'', ''number concentration'', and ''volume concentration''. The concentration can refer to any kind of chemical mixture, but most frequently refers to solutes and solvents in solutions. The molar (amount) concentration has variants, such as normal concentration and osmotic concentration. Etymology The term concentration comes from the word concentrate, from the French , from con– + center, meaning “to put at the center”. Qualitative description Often in informal, non-technical language, concentration is described in a qualitative way, through the use of adjectives such as "dilute" for solutions of relatively low concentration and "concentrated" for solutions of relatively high concentration. To concentrate a solution, one must add more solute (for example, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Activity (chemistry)
In chemical thermodynamics, activity (symbol ) is a measure of the "effective concentration" of a species in a mixture, in the sense that the species' chemical potential depends on the activity of a real solution in the same way that it would depend on concentration for an ideal solution. The term "activity" in this sense was coined by the American chemist Gilbert N. Lewis in 1907. By convention, activity is treated as a dimensionless quantity, although its value depends on customary choices of standard state for the species. The activity of pure substances in condensed phases (solid or liquids) is normally taken as unity (the number 1). Activity depends on temperature, pressure and composition of the mixture, among other things. For gases, the activity is the effective partial pressure, and is usually referred to as fugacity. The difference between activity and other measures of concentration arises because the interactions between different types of molecules in non-ideal gas ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Equilibrium Constant
The equilibrium constant of a chemical reaction is the value of its reaction quotient at chemical equilibrium, a state approached by a dynamic chemical system after sufficient time has elapsed at which its composition has no measurable tendency towards further change. For a given set of reaction conditions, the equilibrium constant is independent of the initial analytical concentrations of the reactant and product species in the mixture. Thus, given the initial composition of a system, known equilibrium constant values can be used to determine the composition of the system at equilibrium. However, reaction parameters like temperature, solvent, and ionic strength may all influence the value of the equilibrium constant. A knowledge of equilibrium constants is essential for the understanding of many chemical systems, as well as biochemical processes such as oxygen transport by hemoglobin in blood and acid–base homeostasis in the human body. Stability constants, formation cons ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gibbs Energy Minimization
In thermodynamics, the Gibbs free energy (or Gibbs energy; symbol G) is a thermodynamic potential that can be used to calculate the maximum amount of work that may be performed by a thermodynamically closed system at constant temperature and pressure. It also provides a necessary condition for processes such as chemical reactions that may occur under these conditions. The Gibbs free energy change , measured in joules in SI) is the ''maximum'' amount of non-expansion work that can be extracted from a closed system (one that can exchange heat and work with its surroundings, but not matter) at fixed temperature and pressure. This maximum can be attained only in a completely reversible process. When a system transforms reversibly from an initial state to a final state under these conditions, the decrease in Gibbs free energy equals the work done by the system to its surroundings, minus the work of the pressure forces. The Gibbs energy is the thermodynamic potential that is ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Law Of Mass Action
In chemistry, the law of mass action is the proposition that the rate of the chemical reaction is directly proportional to the product of the activities or concentrations of the reactants. It explains and predicts behaviors of solutions in dynamic equilibrium. Specifically, it implies that for a chemical reaction mixture that is in equilibrium, the ratio between the concentration of reactants and products is constant. Two aspects are involved in the initial formulation of the law: 1) the equilibrium aspect, concerning the composition of a reaction mixture at equilibrium and 2) the kinetic aspect concerning the rate equations for elementary reactions. Both aspects stem from the research performed by Cato M. Guldberg and Peter Waage between 1864 and 1879 in which equilibrium constants were derived by using kinetic data and the rate equation which they had proposed. Guldberg and Waage also recognized that chemical equilibrium is a dynamic process in which rates of reaction for t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Brine
Brine is a high-concentration solution of salt (NaCl) in water (H2O). In diverse contexts, ''brine'' may refer to the salt solutions ranging from about 3.5% (a typical concentration of seawater, on the lower end of that of solutions used for brining foods) up to about 26% (a typical saturated solution, depending on temperature). Brine forms naturally due to evaporation of ground saline water but it is also generated in the mining of sodium chloride. Brine is used for food processing and cooking (pickling and brining), for de-icing of roads and other structures, and in a number of technological processes. It is also a by-product of many industrial processes, such as desalination, so it requires wastewater treatment for proper disposal or further utilization (fresh water recovery). In nature Brines are produced in multiple ways in nature. Modification of seawater via evaporation results in the concentration of salts in the residual fluid, a characteristic geologic deposit call ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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